ChemSpider 2D Image | Regrelor | C22H25N6O8P

Regrelor

  • Molecular FormulaC22H25N6O8P
  • Average mass532.443 Da
  • Monoisotopic mass532.147156 Da
  • ChemSpider ID9448187
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

787548-03-2 [RN]
8830
Adenosine, N-[(ethylamino)carbonyl]-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-ylidene]-, 5'-(dihydrogen phosphate) [ACD/Index Name]
N-(Ethylcarbamoyl)-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-yliden]adenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
N-(Ethylcarbamoyl)-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-ylidene]adenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
N-(Éthylcarbamoyl)-2',3'-O-[(1S,2E)-3-phényl-2-propén-1-ylidène]adénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Q6C8TY6SW1
regrelor [Spanish] [INN]
régrélor [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

INS50589 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.740
Molar Refractivity: 126.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 77.3±7.0 dyne/cm
Molar Volume: 312.6±7.0 cm3

Click to predict properties on the Chemicalize site






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